2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one

C4H7N3O2 — CID 137241756

IUPAC2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]cnn1CCO
InChIInChI=1S/C4H7N3O2/c8-2-1-7-4(9)5-3-6-7/h3,8H,1-2H2,(H,5,6,9)
InChIKeyRUZVMRXOXZLSIQ-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.44
Rot. Bonds2

About 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one

2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one (PubChem CID 137241756) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
PubChem CID137241756
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]cnn1CCO
InChIInChI=1S/C4H7N3O2/c8-2-1-7-4(9)5-3-6-7/h3,8H,1-2H2,(H,5,6,9)
InChIKeyRUZVMRXOXZLSIQ-UHFFFAOYSA-N
XLogP-1.44
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4H-1,2,4-triazol-3-one
CID 142564107
2-[(2S)-1,3,3-trifluoro-2-hydroxypropyl]-4H-1,2,4-triazol-3-one
CID 155071405
2-(2-methoxyethyl)-4H-1,2,4-triazol-3-one
CID 137030711
2-(1-hydroxybutan-2-yl)-4H-1,2,4-triazol-3-one
CID 154451409
5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 135407510

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one (CID 137241756) is 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one is O=c1[nH]cnn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The InChIKey is RUZVMRXOXZLSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c8-2-1-7-4(9)5-3-6-7/h3,8H,1-2H2,(H,5,6,9).
What are the key properties of 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one has a molecular weight of 129.12 g/mol, XLogP of -1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 137241756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).